(1S,2S,3S,5R)-2,6,6-Trimethylspiro[bicyclo[3.1.1]heptane-3,1'-cyclohexane]-2'-en-4'-one (CHEM064776)
| Record Information | |||||||||
|---|---|---|---|---|---|---|---|---|---|
| Version | 1.0 | ||||||||
| Creation Date | 2026-04-03 13:54:38 UTC | ||||||||
| Update Date | 2026-04-03 13:54:38 UTC | ||||||||
| Accession Number | CHEM064776 | ||||||||
| Identification | |||||||||
| Common Name | (1S,2S,3S,5R)-2,6,6-Trimethylspiro[bicyclo[3.1.1]heptane-3,1'-cyclohexane]-2'-en-4'-one | ||||||||
| Class | Small Molecule | ||||||||
| Description | Not Available | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C15H22O1 | ||||||||
| Average Molecular Mass | 218.340 g/mol | ||||||||
| Monoisotopic Mass | 218.167 g/mol | ||||||||
| CAS Registry Number | 133636-82-5 | ||||||||
| IUPAC Name | (1R,3S,4S,5S)-4,6,6-trimethylspiro[bicyclo[3.1.1]heptane-3,4'-cyclohex-2-ene]-1'-one | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | C[C@H]1[C@@H]2C[C@H](C[C@]11CCC(=O)C=C1)C2(C)C | ||||||||
| InChI Identifier | InChI=1S/C15H22O/c1-10-13-8-11(14(13,2)3)9-15(10)6-4-12(16)5-7-15/h4,6,10-11,13H,5,7-9H2,1-3H3/t10-,11+,13-,15-/m0/s1 | ||||||||
| InChI Key | YBDPZJGWLRHCHO-WJNVRWDZSA-N | ||||||||
| Chemical Taxonomy | |||||||||
| Classification | Not classified | ||||||||
| Biological Properties | |||||||||
| Status | Detected and Not Quantified | ||||||||
| Origin | Not Available | ||||||||
| Cellular Locations | Not Available | ||||||||
| Biofluid Locations | Not Available | ||||||||
| Tissue Locations | Not Available | ||||||||
| Pathways | Not Available | ||||||||
| Applications | Not Available | ||||||||
| Biological Roles | Not Available | ||||||||
| Chemical Roles | Not Available | ||||||||
| Physical Properties | |||||||||
| State | Not Available | ||||||||
| Appearance | Not Available | ||||||||
| Experimental Properties |
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| Predicted Properties | Not Available | ||||||||
| Spectra | |||||||||
| Spectra |
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| Toxicity Profile | |||||||||
| Route of Exposure | Not Available | ||||||||
| Mechanism of Toxicity | Not Available | ||||||||
| Metabolism | Not Available | ||||||||
| Toxicity Values | Not Available | ||||||||
| Lethal Dose | Not Available | ||||||||
| Carcinogenicity (IARC Classification) | Not Available | ||||||||
| Uses/Sources | Not Available | ||||||||
| Minimum Risk Level | Not Available | ||||||||
| Health Effects | Not Available | ||||||||
| Symptoms | Not Available | ||||||||
| Treatment | Not Available | ||||||||
| Concentrations | |||||||||
| Not Available | |||||||||
| External Links | |||||||||
| Identifiers | Not Available | ||||||||
| References | |||||||||
| Synthesis Reference | Not Available | ||||||||
| MSDS | Not Available | ||||||||
| General References | Not Available | ||||||||
